BioLiP

PDB

BioLiP

PDB CCD ID:

TGM

Number of entries in BioLiP:

Chemical formula:

C21 H15 N3 O5

InChI:

InChI=1S/C21H15N3O5/c25-16-6-2-1-5-14(16)18-19(24-10-4-3-7-17(24)23-18)22-12-8-9-13(20(26)27)15(11-12)21(28)29/h1-11,22,25H,(H,26,27)(H,28,29)

InChIKey:

CJHAGMMEDJVYBA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1(nc3ccccn3c1Nc2ccc(c(c2)C(O)=O)C(O)=O)c4c(cccc4)O
OpenEye OEToolkits 2.0.7	c1ccc(c(c1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O
CACTVS 3.385	OC(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4O)cc1C(O)=O

Name:

4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).